SCHEMBL7908108

SCHEMBL7908108

COc1cccc(OCCCCCCBr)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 3/20 0.47
LMNA P02545 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.42
PLAU P00749 1/20 0.42
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
PRSS1 P07477 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7819615 0.98 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAL3MBTL1HPGD
SCHEMBL11092732 0.93 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNAL3MBTL1HPGD
SCHEMBL5841179 0.87 PLAU (0.48) SMN1; SMN2ALDH1A1LMNAL3MBTL1HPGD
SCHEMBL3079261 0.87 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1LMNAL3MBTL1HPGD
SCHEMBL7820909 0.84 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1LMNAL3MBTL1HPGD
SCHEMBL3070239 0.82 L3MBTL1 (0.65) SMN1; SMN2ALDH1A1LMNAL3MBTL1HPGD
SCHEMBL3062573 0.82 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1LMNAL3MBTL1HPGD
SCHEMBL3073425 0.81 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNAL3MBTL1HPGD
SCHEMBL15380727 0.81 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAL3MBTL1HPGD
SCHEMBL19612360 0.80 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAL3MBTL1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107753-A1 MULTIVALENT AGONISTS, PARTIAL AGONISTS, INVERSE AGONISTS AND ANTAGONISTS OF THE 5HT2 RECEPTORS Advanced Medicine, Inc. (US) 2001-06-20 EP disclosed
WO-1999063996-A1 MULTIVALENT AGONISTS, PARTIAL AGONISTS, INVERSE AGONISTS AND ANTAGONISTS OF THE 5HT2 RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed